BindingDB PrimarySearch

BDBM13792 2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1H,4H,5H,6H-pyrrolo[3,4-d]imidazol-1-yl]methyl}benzonitrile::Xanthine mimetic compound 7

SMILES: CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O

InChI Key: InChIKey=WVRGIUWTFUXDGX-UHFFFAOYSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 13792
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13792 (2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	-11.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
Abbott Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase IV (Rattus norvegicus (rat))	BDBM13792 (2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	-11.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
Abbott Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM13792 (2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+3	>-7.45	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
Abbott Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM13792 (2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+3	>-7.45	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
Abbott Laboratories					More data for this Ligand-Target Pair